USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 486 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 MET CE :methyl -135:sc= -2.15 (180deg=-2.83!) USER MOD Set 1.2: A 44 MET CE :methyl -164:sc= -0.259 (180deg=-0.839) USER MOD Set 2.1: A 9 THR OG1 : rot -101:sc= 1.26 USER MOD Set 2.2: A 19 HIS : no HD1:sc= 0.222 K(o=1.5,f=-11!) USER MOD Single : A 3 MET CE :methyl -147:sc= 0 (180deg=-0.00679) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -3.98! K(o=-4!,f=-2.2) USER MOD Single : A 8 LYS NZ :NH3+ -147:sc= 0.238 (180deg=-0.0397) USER MOD Single : A 10 TYR OH : rot 110:sc= -1.61! USER MOD Single : A 13 GLN : amide:sc= -0.127 K(o=-0.13,f=-2.9!) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0212 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -149:sc= 0.243 (180deg=0.0172) USER MOD Single : A 25 LYS NZ :NH3+ -170:sc= 1.26 (180deg=0.774) USER MOD Single : A 26 MET CE :methyl 134:sc= -1.2 (180deg=-2.82!) USER MOD Single : A 28 MET CE :methyl 178:sc= 0 (180deg=-0.00494) USER MOD Single : A 30 ASN : amide:sc= 0.0391 K(o=0.039,f=-13!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0.00798 USER MOD Single : A 36 MET CE :methyl -163:sc= -0.539 (180deg=-1.51) USER MOD Single : A 37 ASN : amide:sc= -0.147 X(o=-0.15,f=-0.15) USER MOD Single : A 42 LYS NZ :NH3+ -167:sc= -0.0289 (180deg=-0.245) USER MOD Single : A 46 THR OG1 : rot -79:sc= 1.59 USER MOD Single : A 50 THR OG1 : rot 114:sc= 1.24 USER MOD Single : A 51 LYS NZ :NH3+ -156:sc= 0.449 (180deg=-0.0168) USER MOD Single : A 54 MET CE :methyl -171:sc= -1.55 (180deg=-1.72) USER MOD Single : A 55 LYS NZ :NH3+ -171:sc=-0.00329 (180deg=-0.0945) USER MOD Single : A 57 ASN : amide:sc= -0.946 X(o=-0.95,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 31 N MET A 3 9.954 1.369 9.979 1.00 0.96 N ATOM 32 CA MET A 3 8.749 1.457 10.769 1.00 0.96 C ATOM 33 C MET A 3 8.677 2.794 11.485 1.00 0.91 C ATOM 34 O MET A 3 8.055 2.920 12.539 1.00 1.26 O ATOM 35 CB MET A 3 8.710 0.322 11.783 1.00 1.43 C ATOM 36 CG MET A 3 9.040 -1.041 11.193 1.00 1.59 C ATOM 37 SD MET A 3 8.334 -2.405 12.134 1.00 2.01 S ATOM 38 CE MET A 3 6.648 -2.366 11.530 1.00 2.17 C ATOM 0 HA MET A 3 7.890 1.373 10.103 1.00 0.96 H new ATOM 0 HB2 MET A 3 9.414 0.540 12.586 1.00 1.43 H new ATOM 0 HB3 MET A 3 7.718 0.282 12.232 1.00 1.43 H new ATOM 0 HG2 MET A 3 8.673 -1.086 10.168 1.00 1.59 H new ATOM 0 HG3 MET A 3 10.123 -1.159 11.149 1.00 1.59 H new ATOM 0 HE1 MET A 3 5.969 -2.670 12.327 1.00 2.17 H new ATOM 0 HE2 MET A 3 6.400 -1.355 11.208 1.00 2.17 H new ATOM 0 HE3 MET A 3 6.547 -3.050 10.687 1.00 2.17 H new ATOM 48 N SER A 4 9.299 3.792 10.892 1.00 0.78 N ATOM 49 CA SER A 4 9.394 5.107 11.505 1.00 0.78 C ATOM 50 C SER A 4 8.596 6.144 10.718 1.00 0.72 C ATOM 51 O SER A 4 7.981 7.041 11.296 1.00 0.81 O ATOM 52 CB SER A 4 10.861 5.529 11.580 1.00 0.86 C ATOM 53 OG SER A 4 11.667 4.467 12.066 1.00 1.47 O ATOM 0 H SER A 4 9.750 3.719 9.980 1.00 0.78 H new ATOM 0 HA SER A 4 8.973 5.050 12.509 1.00 0.78 H new ATOM 0 HB2 SER A 4 11.208 5.832 10.592 1.00 0.86 H new ATOM 0 HB3 SER A 4 10.962 6.396 12.233 1.00 0.86 H new ATOM 0 HG SER A 4 12.602 4.757 12.105 1.00 1.47 H new ATOM 59 N ASN A 5 8.598 6.012 9.402 1.00 0.64 N ATOM 60 CA ASN A 5 7.969 7.004 8.538 1.00 0.64 C ATOM 61 C ASN A 5 6.775 6.425 7.788 1.00 0.57 C ATOM 62 O ASN A 5 6.092 7.114 7.042 1.00 0.68 O ATOM 63 CB ASN A 5 9.013 7.568 7.565 1.00 0.69 C ATOM 64 CG ASN A 5 8.430 8.363 6.414 1.00 1.19 C ATOM 65 OD1 ASN A 5 8.263 9.578 6.503 1.00 1.89 O ATOM 66 ND2 ASN A 5 8.089 7.675 5.337 1.00 1.24 N ATOM 0 H ASN A 5 9.027 5.230 8.907 1.00 0.64 H new ATOM 0 HA ASN A 5 7.586 7.812 9.161 1.00 0.64 H new ATOM 0 HB2 ASN A 5 9.702 8.206 8.119 1.00 0.69 H new ATOM 0 HB3 ASN A 5 9.599 6.742 7.161 1.00 0.69 H new ATOM 0 HD21 ASN A 5 7.670 8.152 4.539 1.00 1.24 H new ATOM 0 HD22 ASN A 5 8.245 6.668 5.305 1.00 1.24 H new ATOM 73 N VAL A 6 6.486 5.173 7.993 1.00 0.44 N ATOM 74 CA VAL A 6 5.416 4.561 7.244 1.00 0.40 C ATOM 75 C VAL A 6 4.149 4.423 8.092 1.00 0.40 C ATOM 76 O VAL A 6 4.210 4.028 9.255 1.00 0.47 O ATOM 77 CB VAL A 6 5.871 3.213 6.668 1.00 0.43 C ATOM 78 CG1 VAL A 6 6.055 2.162 7.753 1.00 0.98 C ATOM 79 CG2 VAL A 6 4.910 2.749 5.604 1.00 1.25 C ATOM 0 H VAL A 6 6.962 4.562 8.657 1.00 0.44 H new ATOM 0 HA VAL A 6 5.164 5.213 6.408 1.00 0.40 H new ATOM 0 HB VAL A 6 6.849 3.358 6.208 1.00 0.43 H new ATOM 0 HG11 VAL A 6 6.377 1.224 7.300 1.00 0.98 H new ATOM 0 HG12 VAL A 6 6.810 2.500 8.463 1.00 0.98 H new ATOM 0 HG13 VAL A 6 5.110 2.007 8.274 1.00 0.98 H new ATOM 0 HG21 VAL A 6 5.245 1.792 5.204 1.00 1.25 H new ATOM 0 HG22 VAL A 6 3.916 2.634 6.036 1.00 1.25 H new ATOM 0 HG23 VAL A 6 4.873 3.485 4.801 1.00 1.25 H new ATOM 89 N VAL A 7 3.001 4.790 7.512 1.00 0.38 N ATOM 90 CA VAL A 7 1.740 4.768 8.252 1.00 0.41 C ATOM 91 C VAL A 7 1.064 3.401 8.186 1.00 0.37 C ATOM 92 O VAL A 7 0.281 3.051 9.068 1.00 0.42 O ATOM 93 CB VAL A 7 0.737 5.860 7.787 1.00 0.52 C ATOM 94 CG1 VAL A 7 1.238 7.241 8.178 1.00 0.94 C ATOM 95 CG2 VAL A 7 0.478 5.803 6.286 1.00 1.03 C ATOM 0 H VAL A 7 2.921 5.102 6.544 1.00 0.38 H new ATOM 0 HA VAL A 7 2.015 4.984 9.284 1.00 0.41 H new ATOM 0 HB VAL A 7 -0.209 5.662 8.290 1.00 0.52 H new ATOM 0 HG11 VAL A 7 0.524 7.995 7.845 1.00 0.94 H new ATOM 0 HG12 VAL A 7 1.345 7.296 9.261 1.00 0.94 H new ATOM 0 HG13 VAL A 7 2.204 7.424 7.708 1.00 0.94 H new ATOM 0 HG21 VAL A 7 -0.229 6.585 6.009 1.00 1.03 H new ATOM 0 HG22 VAL A 7 1.415 5.954 5.749 1.00 1.03 H new ATOM 0 HG23 VAL A 7 0.063 4.830 6.025 1.00 1.03 H new ATOM 105 N LYS A 8 1.377 2.622 7.153 1.00 0.34 N ATOM 106 CA LYS A 8 0.810 1.285 7.028 1.00 0.35 C ATOM 107 C LYS A 8 1.514 0.475 5.960 1.00 0.31 C ATOM 108 O LYS A 8 1.734 0.935 4.836 1.00 0.35 O ATOM 109 CB LYS A 8 -0.689 1.345 6.727 1.00 0.44 C ATOM 110 CG LYS A 8 -1.377 -0.015 6.749 1.00 0.50 C ATOM 111 CD LYS A 8 -1.356 -0.625 8.144 1.00 0.57 C ATOM 112 CE LYS A 8 -1.958 -2.024 8.171 1.00 1.01 C ATOM 113 NZ LYS A 8 -3.376 -2.039 7.721 1.00 1.41 N ATOM 0 H LYS A 8 2.012 2.890 6.401 1.00 0.34 H new ATOM 0 HA LYS A 8 0.958 0.790 7.988 1.00 0.35 H new ATOM 0 HB2 LYS A 8 -1.170 1.997 7.456 1.00 0.44 H new ATOM 0 HB3 LYS A 8 -0.835 1.800 5.747 1.00 0.44 H new ATOM 0 HG2 LYS A 8 -2.408 0.092 6.412 1.00 0.50 H new ATOM 0 HG3 LYS A 8 -0.881 -0.687 6.049 1.00 0.50 H new ATOM 0 HD2 LYS A 8 -0.328 -0.667 8.505 1.00 0.57 H new ATOM 0 HD3 LYS A 8 -1.908 0.019 8.828 1.00 0.57 H new ATOM 0 HE2 LYS A 8 -1.370 -2.682 7.532 1.00 1.01 H new ATOM 0 HE3 LYS A 8 -1.896 -2.424 9.183 1.00 1.01 H new ATOM 0 HZ1 LYS A 8 -3.896 -2.777 8.237 1.00 1.41 H new ATOM 0 HZ2 LYS A 8 -3.810 -1.113 7.910 1.00 1.41 H new ATOM 0 HZ3 LYS A 8 -3.414 -2.238 6.701 1.00 1.41 H new ATOM 127 N THR A 9 1.868 -0.730 6.338 1.00 0.33 N ATOM 128 CA THR A 9 2.392 -1.711 5.417 1.00 0.32 C ATOM 129 C THR A 9 1.324 -2.768 5.136 1.00 0.35 C ATOM 130 O THR A 9 0.555 -3.147 6.023 1.00 0.39 O ATOM 131 CB THR A 9 3.684 -2.357 5.970 1.00 0.33 C ATOM 132 OG1 THR A 9 4.774 -1.438 5.851 1.00 0.40 O ATOM 133 CG2 THR A 9 4.032 -3.663 5.262 1.00 0.33 C ATOM 0 H THR A 9 1.800 -1.060 7.301 1.00 0.33 H new ATOM 0 HA THR A 9 2.653 -1.216 4.482 1.00 0.32 H new ATOM 0 HB THR A 9 3.505 -2.594 7.019 1.00 0.33 H new ATOM 0 HG1 THR A 9 5.321 -1.678 5.074 1.00 0.40 H new ATOM 0 HG21 THR A 9 4.947 -4.075 5.688 1.00 0.33 H new ATOM 0 HG22 THR A 9 3.218 -4.376 5.393 1.00 0.33 H new ATOM 0 HG23 THR A 9 4.180 -3.472 4.199 1.00 0.33 H new ATOM 141 N TYR A 10 1.285 -3.216 3.898 1.00 0.37 N ATOM 142 CA TYR A 10 0.304 -4.167 3.438 1.00 0.42 C ATOM 143 C TYR A 10 0.961 -5.403 2.894 1.00 0.38 C ATOM 144 O TYR A 10 1.930 -5.340 2.138 1.00 0.35 O ATOM 145 CB TYR A 10 -0.601 -3.536 2.385 1.00 0.47 C ATOM 146 CG TYR A 10 -1.740 -2.769 2.994 1.00 0.60 C ATOM 147 CD1 TYR A 10 -2.735 -3.398 3.725 1.00 0.70 C ATOM 148 CD2 TYR A 10 -1.816 -1.399 2.822 1.00 0.68 C ATOM 149 CE1 TYR A 10 -3.777 -2.673 4.273 1.00 0.84 C ATOM 150 CE2 TYR A 10 -2.844 -0.667 3.359 1.00 0.82 C ATOM 151 CZ TYR A 10 -3.856 -1.397 4.147 1.00 0.91 C ATOM 152 OH TYR A 10 -4.865 -0.574 4.622 1.00 1.06 O ATOM 0 H TYR A 10 1.944 -2.924 3.176 1.00 0.37 H new ATOM 0 HA TYR A 10 -0.307 -4.459 4.292 1.00 0.42 H new ATOM 0 HB2 TYR A 10 -0.012 -2.868 1.757 1.00 0.47 H new ATOM 0 HB3 TYR A 10 -0.998 -4.317 1.736 1.00 0.47 H new ATOM 0 HD1 TYR A 10 -2.696 -4.468 3.868 1.00 0.70 H new ATOM 0 HD2 TYR A 10 -1.049 -0.895 2.253 1.00 0.68 H new ATOM 0 HE1 TYR A 10 -4.547 -3.194 4.823 1.00 0.84 H new ATOM 0 HE2 TYR A 10 -2.910 0.401 3.211 1.00 0.82 H new ATOM 0 HH TYR A 10 -4.522 -0.028 5.360 1.00 1.06 H new ATOM 162 N ASP A 11 0.417 -6.517 3.303 1.00 0.42 N ATOM 163 CA ASP A 11 0.897 -7.811 2.888 1.00 0.42 C ATOM 164 C ASP A 11 0.044 -8.291 1.738 1.00 0.39 C ATOM 165 O ASP A 11 -1.146 -8.506 1.895 1.00 0.40 O ATOM 166 CB ASP A 11 0.832 -8.813 4.041 1.00 0.52 C ATOM 167 CG ASP A 11 1.881 -8.585 5.115 1.00 1.25 C ATOM 168 OD1 ASP A 11 1.860 -7.501 5.738 1.00 1.69 O ATOM 169 OD2 ASP A 11 2.748 -9.459 5.311 1.00 1.94 O ATOM 0 H ASP A 11 -0.379 -6.554 3.939 1.00 0.42 H new ATOM 0 HA ASP A 11 1.938 -7.728 2.577 1.00 0.42 H new ATOM 0 HB2 ASP A 11 -0.157 -8.764 4.497 1.00 0.52 H new ATOM 0 HB3 ASP A 11 0.949 -9.820 3.641 1.00 0.52 H new ATOM 174 N LEU A 12 0.665 -8.468 0.593 1.00 0.38 N ATOM 175 CA LEU A 12 -0.058 -8.792 -0.641 1.00 0.41 C ATOM 176 C LEU A 12 -0.599 -10.220 -0.655 1.00 0.54 C ATOM 177 O LEU A 12 -1.142 -10.655 -1.673 1.00 1.50 O ATOM 178 CB LEU A 12 0.823 -8.580 -1.871 1.00 0.40 C ATOM 179 CG LEU A 12 1.122 -7.118 -2.214 1.00 0.46 C ATOM 180 CD1 LEU A 12 1.436 -6.988 -3.694 1.00 1.04 C ATOM 181 CD2 LEU A 12 -0.046 -6.215 -1.842 1.00 1.04 C ATOM 0 H LEU A 12 1.676 -8.395 0.479 1.00 0.38 H new ATOM 0 HA LEU A 12 -0.907 -8.109 -0.673 1.00 0.41 H new ATOM 0 HB2 LEU A 12 1.768 -9.101 -1.716 1.00 0.40 H new ATOM 0 HB3 LEU A 12 0.339 -9.046 -2.729 1.00 0.40 H new ATOM 0 HG LEU A 12 1.988 -6.801 -1.633 1.00 0.46 H new ATOM 0 HD11 LEU A 12 1.648 -5.945 -3.931 1.00 1.04 H new ATOM 0 HD12 LEU A 12 2.306 -7.599 -3.936 1.00 1.04 H new ATOM 0 HD13 LEU A 12 0.580 -7.326 -4.279 1.00 1.04 H new ATOM 0 HD21 LEU A 12 0.196 -5.183 -2.097 1.00 1.04 H new ATOM 0 HD22 LEU A 12 -0.935 -6.526 -2.391 1.00 1.04 H new ATOM 0 HD23 LEU A 12 -0.236 -6.289 -0.771 1.00 1.04 H new ATOM 193 N GLN A 13 -0.364 -10.960 0.435 1.00 0.65 N ATOM 194 CA GLN A 13 -0.943 -12.302 0.640 1.00 0.62 C ATOM 195 C GLN A 13 -0.011 -13.342 0.033 1.00 0.62 C ATOM 196 O GLN A 13 0.186 -14.429 0.573 1.00 0.74 O ATOM 197 CB GLN A 13 -2.338 -12.419 0.020 1.00 0.69 C ATOM 198 CG GLN A 13 -3.320 -13.252 0.817 1.00 0.89 C ATOM 199 CD GLN A 13 -2.785 -14.615 1.221 1.00 1.08 C ATOM 200 OE1 GLN A 13 -2.209 -14.774 2.297 1.00 1.68 O ATOM 201 NE2 GLN A 13 -2.968 -15.601 0.358 1.00 1.61 N ATOM 0 H GLN A 13 0.232 -10.649 1.202 1.00 0.65 H new ATOM 0 HA GLN A 13 -1.049 -12.472 1.711 1.00 0.62 H new ATOM 0 HB2 GLN A 13 -2.750 -11.418 -0.104 1.00 0.69 H new ATOM 0 HB3 GLN A 13 -2.242 -12.850 -0.976 1.00 0.69 H new ATOM 0 HG2 GLN A 13 -3.602 -12.703 1.715 1.00 0.89 H new ATOM 0 HG3 GLN A 13 -4.227 -13.389 0.228 1.00 0.89 H new ATOM 0 HE21 GLN A 13 -3.451 -15.425 -0.523 1.00 1.61 H new ATOM 0 HE22 GLN A 13 -2.626 -16.537 0.574 1.00 1.61 H new ATOM 210 N ASP A 14 0.583 -12.965 -1.083 1.00 0.55 N ATOM 211 CA ASP A 14 1.554 -13.801 -1.778 1.00 0.64 C ATOM 212 C ASP A 14 2.895 -13.658 -1.088 1.00 0.54 C ATOM 213 O ASP A 14 3.656 -14.616 -0.946 1.00 0.70 O ATOM 214 CB ASP A 14 1.669 -13.372 -3.246 1.00 0.80 C ATOM 215 CG ASP A 14 2.824 -14.041 -3.969 1.00 1.46 C ATOM 216 OD1 ASP A 14 3.946 -13.489 -3.951 1.00 2.11 O ATOM 217 OD2 ASP A 14 2.610 -15.114 -4.574 1.00 1.98 O ATOM 0 H ASP A 14 0.408 -12.069 -1.538 1.00 0.55 H new ATOM 0 HA ASP A 14 1.231 -14.842 -1.751 1.00 0.64 H new ATOM 0 HB2 ASP A 14 0.738 -13.608 -3.762 1.00 0.80 H new ATOM 0 HB3 ASP A 14 1.795 -12.290 -3.294 1.00 0.80 H new ATOM 222 N GLY A 15 3.143 -12.448 -0.622 1.00 0.55 N ATOM 223 CA GLY A 15 4.359 -12.172 0.093 1.00 0.73 C ATOM 224 C GLY A 15 4.858 -10.762 -0.100 1.00 0.75 C ATOM 225 O GLY A 15 5.562 -10.233 0.759 1.00 1.28 O ATOM 0 H GLY A 15 2.518 -11.649 -0.729 1.00 0.55 H new ATOM 0 HA2 GLY A 15 4.196 -12.350 1.156 1.00 0.73 H new ATOM 0 HA3 GLY A 15 5.130 -12.871 -0.232 1.00 0.73 H new ATOM 229 N SER A 16 4.516 -10.157 -1.229 1.00 0.37 N ATOM 230 CA SER A 16 4.937 -8.796 -1.505 1.00 0.35 C ATOM 231 C SER A 16 4.383 -7.860 -0.440 1.00 0.29 C ATOM 232 O SER A 16 3.294 -8.082 0.092 1.00 0.33 O ATOM 233 CB SER A 16 4.453 -8.357 -2.879 1.00 0.44 C ATOM 234 OG SER A 16 4.502 -9.425 -3.811 1.00 1.07 O ATOM 0 H SER A 16 3.952 -10.586 -1.963 1.00 0.37 H new ATOM 0 HA SER A 16 6.026 -8.757 -1.490 1.00 0.35 H new ATOM 0 HB2 SER A 16 3.432 -7.984 -2.804 1.00 0.44 H new ATOM 0 HB3 SER A 16 5.069 -7.532 -3.237 1.00 0.44 H new ATOM 0 HG SER A 16 4.183 -9.113 -4.684 1.00 1.07 H new ATOM 240 N LYS A 17 5.137 -6.831 -0.115 1.00 0.26 N ATOM 241 CA LYS A 17 4.738 -5.903 0.915 1.00 0.28 C ATOM 242 C LYS A 17 4.658 -4.492 0.359 1.00 0.30 C ATOM 243 O LYS A 17 5.607 -3.989 -0.229 1.00 0.43 O ATOM 244 CB LYS A 17 5.731 -5.960 2.072 1.00 0.31 C ATOM 245 CG LYS A 17 6.104 -7.378 2.461 1.00 0.71 C ATOM 246 CD LYS A 17 6.832 -7.427 3.787 1.00 0.66 C ATOM 247 CE LYS A 17 7.198 -8.858 4.147 1.00 0.84 C ATOM 248 NZ LYS A 17 7.477 -9.019 5.597 1.00 1.84 N ATOM 0 H LYS A 17 6.033 -6.618 -0.553 1.00 0.26 H new ATOM 0 HA LYS A 17 3.750 -6.184 1.279 1.00 0.28 H new ATOM 0 HB2 LYS A 17 6.634 -5.415 1.796 1.00 0.31 H new ATOM 0 HB3 LYS A 17 5.303 -5.452 2.936 1.00 0.31 H new ATOM 0 HG2 LYS A 17 5.202 -7.987 2.519 1.00 0.71 H new ATOM 0 HG3 LYS A 17 6.733 -7.814 1.685 1.00 0.71 H new ATOM 0 HD2 LYS A 17 7.734 -6.818 3.735 1.00 0.66 H new ATOM 0 HD3 LYS A 17 6.204 -7.000 4.568 1.00 0.66 H new ATOM 0 HE2 LYS A 17 6.383 -9.523 3.860 1.00 0.84 H new ATOM 0 HE3 LYS A 17 8.074 -9.162 3.574 1.00 0.84 H new ATOM 0 HZ1 LYS A 17 7.722 -10.010 5.795 1.00 1.84 H new ATOM 0 HZ2 LYS A 17 8.272 -8.405 5.868 1.00 1.84 H new ATOM 0 HZ3 LYS A 17 6.633 -8.755 6.144 1.00 1.84 H new ATOM 262 N VAL A 18 3.519 -3.863 0.555 1.00 0.28 N ATOM 263 CA VAL A 18 3.296 -2.502 0.102 1.00 0.30 C ATOM 264 C VAL A 18 3.264 -1.583 1.300 1.00 0.31 C ATOM 265 O VAL A 18 2.778 -1.961 2.344 1.00 0.41 O ATOM 266 CB VAL A 18 1.961 -2.392 -0.667 1.00 0.35 C ATOM 267 CG1 VAL A 18 1.626 -0.943 -0.991 1.00 0.39 C ATOM 268 CG2 VAL A 18 2.013 -3.224 -1.940 1.00 0.36 C ATOM 0 H VAL A 18 2.720 -4.279 1.033 1.00 0.28 H new ATOM 0 HA VAL A 18 4.106 -2.217 -0.570 1.00 0.30 H new ATOM 0 HB VAL A 18 1.171 -2.781 -0.025 1.00 0.35 H new ATOM 0 HG11 VAL A 18 0.681 -0.900 -1.532 1.00 0.39 H new ATOM 0 HG12 VAL A 18 1.540 -0.374 -0.065 1.00 0.39 H new ATOM 0 HG13 VAL A 18 2.417 -0.516 -1.608 1.00 0.39 H new ATOM 0 HG21 VAL A 18 1.065 -3.136 -2.471 1.00 0.36 H new ATOM 0 HG22 VAL A 18 2.821 -2.864 -2.577 1.00 0.36 H new ATOM 0 HG23 VAL A 18 2.191 -4.269 -1.685 1.00 0.36 H new ATOM 278 N HIS A 19 3.817 -0.400 1.183 1.00 0.29 N ATOM 279 CA HIS A 19 3.804 0.525 2.301 1.00 0.29 C ATOM 280 C HIS A 19 3.485 1.912 1.829 1.00 0.30 C ATOM 281 O HIS A 19 4.083 2.399 0.882 1.00 0.34 O ATOM 282 CB HIS A 19 5.141 0.544 3.044 1.00 0.32 C ATOM 283 CG HIS A 19 6.018 -0.637 2.791 1.00 0.32 C ATOM 284 ND1 HIS A 19 5.716 -1.909 3.204 1.00 0.67 N ATOM 285 CD2 HIS A 19 7.194 -0.720 2.156 1.00 0.37 C ATOM 286 CE1 HIS A 19 6.672 -2.728 2.822 1.00 0.66 C ATOM 287 NE2 HIS A 19 7.589 -2.033 2.182 1.00 0.41 N ATOM 0 H HIS A 19 4.276 -0.054 0.340 1.00 0.29 H new ATOM 0 HA HIS A 19 3.033 0.180 2.990 1.00 0.29 H new ATOM 0 HB2 HIS A 19 5.683 1.447 2.764 1.00 0.32 H new ATOM 0 HB3 HIS A 19 4.944 0.609 4.114 1.00 0.32 H new ATOM 0 HD2 HIS A 19 7.734 0.099 1.705 1.00 0.37 H new ATOM 0 HE1 HIS A 19 6.700 -3.792 3.003 1.00 0.66 H new ATOM 0 HE2 HIS A 19 8.446 -2.407 1.775 1.00 0.41 H new ATOM 296 N VAL A 20 2.551 2.546 2.497 1.00 0.31 N ATOM 297 CA VAL A 20 2.234 3.923 2.209 1.00 0.33 C ATOM 298 C VAL A 20 2.867 4.773 3.292 1.00 0.32 C ATOM 299 O VAL A 20 2.636 4.559 4.481 1.00 0.33 O ATOM 300 CB VAL A 20 0.718 4.171 2.117 1.00 0.40 C ATOM 301 CG1 VAL A 20 0.427 5.637 1.807 1.00 0.56 C ATOM 302 CG2 VAL A 20 0.115 3.264 1.054 1.00 0.81 C ATOM 0 H VAL A 20 1.997 2.129 3.245 1.00 0.31 H new ATOM 0 HA VAL A 20 2.632 4.190 1.230 1.00 0.33 H new ATOM 0 HB VAL A 20 0.263 3.939 3.080 1.00 0.40 H new ATOM 0 HG11 VAL A 20 -0.651 5.789 1.747 1.00 0.56 H new ATOM 0 HG12 VAL A 20 0.838 6.265 2.598 1.00 0.56 H new ATOM 0 HG13 VAL A 20 0.885 5.906 0.855 1.00 0.56 H new ATOM 0 HG21 VAL A 20 -0.959 3.441 0.991 1.00 0.81 H new ATOM 0 HG22 VAL A 20 0.576 3.478 0.089 1.00 0.81 H new ATOM 0 HG23 VAL A 20 0.296 2.222 1.319 1.00 0.81 H new ATOM 312 N PHE A 21 3.681 5.712 2.881 1.00 0.34 N ATOM 313 CA PHE A 21 4.553 6.408 3.799 1.00 0.37 C ATOM 314 C PHE A 21 3.962 7.755 4.209 1.00 0.39 C ATOM 315 O PHE A 21 3.076 8.285 3.535 1.00 0.40 O ATOM 316 CB PHE A 21 5.928 6.567 3.154 1.00 0.40 C ATOM 317 CG PHE A 21 6.624 5.250 2.881 1.00 0.41 C ATOM 318 CD1 PHE A 21 7.441 4.644 3.835 1.00 0.58 C ATOM 319 CD2 PHE A 21 6.449 4.607 1.664 1.00 0.37 C ATOM 320 CE1 PHE A 21 8.054 3.436 3.574 1.00 0.64 C ATOM 321 CE2 PHE A 21 7.061 3.398 1.405 1.00 0.39 C ATOM 322 CZ PHE A 21 7.943 2.846 2.398 1.00 0.51 C ATOM 0 H PHE A 21 3.760 6.015 1.910 1.00 0.34 H new ATOM 0 HA PHE A 21 4.657 5.824 4.713 1.00 0.37 H new ATOM 0 HB2 PHE A 21 5.820 7.113 2.217 1.00 0.40 H new ATOM 0 HB3 PHE A 21 6.558 7.173 3.805 1.00 0.40 H new ATOM 0 HD1 PHE A 21 7.596 5.126 4.789 1.00 0.58 H new ATOM 0 HD2 PHE A 21 5.824 5.060 0.908 1.00 0.37 H new ATOM 0 HE1 PHE A 21 8.638 2.962 4.349 1.00 0.64 H new ATOM 0 HE2 PHE A 21 6.882 2.877 0.476 1.00 0.39 H new ATOM 0 HZ PHE A 21 8.512 1.953 2.183 1.00 0.51 H new ATOM 332 N LYS A 22 4.462 8.304 5.315 1.00 0.44 N ATOM 333 CA LYS A 22 3.934 9.542 5.893 1.00 0.50 C ATOM 334 C LYS A 22 4.082 10.724 4.941 1.00 0.52 C ATOM 335 O LYS A 22 3.391 11.733 5.072 1.00 0.57 O ATOM 336 CB LYS A 22 4.649 9.866 7.212 1.00 0.61 C ATOM 337 CG LYS A 22 4.297 8.925 8.351 1.00 1.37 C ATOM 338 CD LYS A 22 4.946 9.347 9.661 1.00 1.46 C ATOM 339 CE LYS A 22 6.418 9.699 9.493 1.00 2.02 C ATOM 340 NZ LYS A 22 7.073 9.987 10.796 1.00 2.87 N ATOM 0 H LYS A 22 5.243 7.905 5.836 1.00 0.44 H new ATOM 0 HA LYS A 22 2.872 9.380 6.077 1.00 0.50 H new ATOM 0 HB2 LYS A 22 5.726 9.834 7.047 1.00 0.61 H new ATOM 0 HB3 LYS A 22 4.402 10.886 7.507 1.00 0.61 H new ATOM 0 HG2 LYS A 22 3.215 8.896 8.476 1.00 1.37 H new ATOM 0 HG3 LYS A 22 4.616 7.914 8.098 1.00 1.37 H new ATOM 0 HD2 LYS A 22 4.414 10.207 10.066 1.00 1.46 H new ATOM 0 HD3 LYS A 22 4.849 8.541 10.388 1.00 1.46 H new ATOM 0 HE2 LYS A 22 6.934 8.874 9.002 1.00 2.02 H new ATOM 0 HE3 LYS A 22 6.511 10.567 8.840 1.00 2.02 H new ATOM 0 HZ1 LYS A 22 7.830 10.686 10.657 1.00 2.87 H new ATOM 0 HZ2 LYS A 22 6.370 10.367 11.462 1.00 2.87 H new ATOM 0 HZ3 LYS A 22 7.478 9.110 11.182 1.00 2.87 H new ATOM 354 N ASP A 23 4.975 10.587 3.973 1.00 0.54 N ATOM 355 CA ASP A 23 5.278 11.669 3.057 1.00 0.61 C ATOM 356 C ASP A 23 4.261 11.652 1.957 1.00 0.59 C ATOM 357 O ASP A 23 4.186 12.561 1.132 1.00 0.67 O ATOM 358 CB ASP A 23 6.664 11.510 2.439 1.00 0.68 C ATOM 359 CG ASP A 23 7.691 10.983 3.408 1.00 1.29 C ATOM 360 OD1 ASP A 23 8.194 11.788 4.218 1.00 1.91 O ATOM 361 OD2 ASP A 23 7.990 9.772 3.367 1.00 1.97 O ATOM 0 H ASP A 23 5.504 9.731 3.803 1.00 0.54 H new ATOM 0 HA ASP A 23 5.256 12.608 3.610 1.00 0.61 H new ATOM 0 HB2 ASP A 23 6.599 10.834 1.586 1.00 0.68 H new ATOM 0 HB3 ASP A 23 6.997 12.475 2.057 1.00 0.68 H new ATOM 366 N GLY A 24 3.476 10.593 1.948 1.00 0.53 N ATOM 367 CA GLY A 24 2.477 10.444 0.949 1.00 0.53 C ATOM 368 C GLY A 24 2.894 9.537 -0.183 1.00 0.53 C ATOM 369 O GLY A 24 2.093 9.259 -1.075 1.00 0.58 O ATOM 0 H GLY A 24 3.523 9.833 2.627 1.00 0.53 H new ATOM 0 HA2 GLY A 24 1.571 10.048 1.408 1.00 0.53 H new ATOM 0 HA3 GLY A 24 2.227 11.425 0.546 1.00 0.53 H new ATOM 373 N LYS A 25 4.143 9.076 -0.180 1.00 0.50 N ATOM 374 CA LYS A 25 4.572 8.115 -1.179 1.00 0.51 C ATOM 375 C LYS A 25 4.160 6.725 -0.749 1.00 0.42 C ATOM 376 O LYS A 25 3.530 6.545 0.293 1.00 0.41 O ATOM 377 CB LYS A 25 6.088 8.127 -1.375 1.00 0.62 C ATOM 378 CG LYS A 25 6.678 9.494 -1.643 1.00 0.94 C ATOM 379 CD LYS A 25 7.483 9.967 -0.449 1.00 1.49 C ATOM 380 CE LYS A 25 8.592 8.981 -0.102 1.00 1.50 C ATOM 381 NZ LYS A 25 9.412 9.426 1.061 1.00 1.74 N ATOM 0 H LYS A 25 4.860 9.349 0.492 1.00 0.50 H new ATOM 0 HA LYS A 25 4.099 8.393 -2.121 1.00 0.51 H new ATOM 0 HB2 LYS A 25 6.559 7.711 -0.485 1.00 0.62 H new ATOM 0 HB3 LYS A 25 6.339 7.468 -2.206 1.00 0.62 H new ATOM 0 HG2 LYS A 25 7.315 9.455 -2.526 1.00 0.94 H new ATOM 0 HG3 LYS A 25 5.880 10.206 -1.856 1.00 0.94 H new ATOM 0 HD2 LYS A 25 7.916 10.944 -0.664 1.00 1.49 H new ATOM 0 HD3 LYS A 25 6.824 10.093 0.410 1.00 1.49 H new ATOM 0 HE2 LYS A 25 8.152 8.008 0.119 1.00 1.50 H new ATOM 0 HE3 LYS A 25 9.239 8.848 -0.969 1.00 1.50 H new ATOM 0 HZ1 LYS A 25 10.248 8.814 1.150 1.00 1.74 H new ATOM 0 HZ2 LYS A 25 9.716 10.410 0.915 1.00 1.74 H new ATOM 0 HZ3 LYS A 25 8.844 9.365 1.930 1.00 1.74 H new ATOM 395 N MET A 26 4.540 5.748 -1.538 1.00 0.42 N ATOM 396 CA MET A 26 4.302 4.368 -1.204 1.00 0.41 C ATOM 397 C MET A 26 5.344 3.490 -1.881 1.00 0.42 C ATOM 398 O MET A 26 5.836 3.814 -2.961 1.00 0.49 O ATOM 399 CB MET A 26 2.877 3.942 -1.566 1.00 0.47 C ATOM 400 CG MET A 26 2.588 3.846 -3.046 1.00 0.73 C ATOM 401 SD MET A 26 2.852 5.389 -3.953 1.00 1.07 S ATOM 402 CE MET A 26 1.597 6.446 -3.230 1.00 0.76 C ATOM 0 H MET A 26 5.021 5.889 -2.426 1.00 0.42 H new ATOM 0 HA MET A 26 4.397 4.246 -0.125 1.00 0.41 H new ATOM 0 HB2 MET A 26 2.679 2.972 -1.110 1.00 0.47 H new ATOM 0 HB3 MET A 26 2.179 4.652 -1.122 1.00 0.47 H new ATOM 0 HG2 MET A 26 3.220 3.070 -3.479 1.00 0.73 H new ATOM 0 HG3 MET A 26 1.554 3.529 -3.183 1.00 0.73 H new ATOM 0 HE1 MET A 26 2.032 7.417 -2.992 1.00 0.76 H new ATOM 0 HE2 MET A 26 0.780 6.579 -3.939 1.00 0.76 H new ATOM 0 HE3 MET A 26 1.215 5.986 -2.319 1.00 0.76 H new ATOM 412 N GLY A 27 5.695 2.404 -1.225 1.00 0.39 N ATOM 413 CA GLY A 27 6.773 1.570 -1.700 1.00 0.39 C ATOM 414 C GLY A 27 6.420 0.107 -1.644 1.00 0.32 C ATOM 415 O GLY A 27 5.563 -0.296 -0.858 1.00 0.33 O ATOM 0 H GLY A 27 5.251 2.081 -0.366 1.00 0.39 H new ATOM 0 HA2 GLY A 27 7.019 1.845 -2.726 1.00 0.39 H new ATOM 0 HA3 GLY A 27 7.664 1.751 -1.099 1.00 0.39 H new ATOM 419 N MET A 28 7.061 -0.690 -2.480 1.00 0.28 N ATOM 420 CA MET A 28 6.759 -2.106 -2.555 1.00 0.27 C ATOM 421 C MET A 28 8.008 -2.961 -2.344 1.00 0.26 C ATOM 422 O MET A 28 9.098 -2.616 -2.796 1.00 0.31 O ATOM 423 CB MET A 28 6.130 -2.411 -3.915 1.00 0.34 C ATOM 424 CG MET A 28 5.698 -3.857 -4.097 1.00 0.45 C ATOM 425 SD MET A 28 4.974 -4.158 -5.723 1.00 0.87 S ATOM 426 CE MET A 28 4.595 -5.904 -5.614 1.00 0.72 C ATOM 0 H MET A 28 7.795 -0.379 -3.117 1.00 0.28 H new ATOM 0 HA MET A 28 6.059 -2.354 -1.757 1.00 0.27 H new ATOM 0 HB2 MET A 28 5.263 -1.765 -4.054 1.00 0.34 H new ATOM 0 HB3 MET A 28 6.845 -2.157 -4.698 1.00 0.34 H new ATOM 0 HG2 MET A 28 6.559 -4.511 -3.959 1.00 0.45 H new ATOM 0 HG3 MET A 28 4.973 -4.117 -3.326 1.00 0.45 H new ATOM 0 HE1 MET A 28 4.108 -6.229 -6.534 1.00 0.72 H new ATOM 0 HE2 MET A 28 5.517 -6.468 -5.472 1.00 0.72 H new ATOM 0 HE3 MET A 28 3.929 -6.080 -4.769 1.00 0.72 H new ATOM 436 N GLU A 29 7.826 -4.063 -1.638 1.00 0.24 N ATOM 437 CA GLU A 29 8.852 -5.080 -1.471 1.00 0.26 C ATOM 438 C GLU A 29 8.262 -6.418 -1.884 1.00 0.27 C ATOM 439 O GLU A 29 7.049 -6.587 -1.845 1.00 0.29 O ATOM 440 CB GLU A 29 9.348 -5.142 -0.015 1.00 0.34 C ATOM 441 CG GLU A 29 10.354 -4.056 0.328 1.00 0.47 C ATOM 442 CD GLU A 29 10.617 -3.925 1.817 1.00 0.56 C ATOM 443 OE1 GLU A 29 9.793 -3.322 2.527 1.00 0.68 O ATOM 444 OE2 GLU A 29 11.646 -4.446 2.288 1.00 1.14 O ATOM 0 H GLU A 29 6.952 -4.280 -1.159 1.00 0.24 H new ATOM 0 HA GLU A 29 9.712 -4.833 -2.094 1.00 0.26 H new ATOM 0 HB2 GLU A 29 8.493 -5.059 0.656 1.00 0.34 H new ATOM 0 HB3 GLU A 29 9.802 -6.117 0.165 1.00 0.34 H new ATOM 0 HG2 GLU A 29 11.294 -4.268 -0.182 1.00 0.47 H new ATOM 0 HG3 GLU A 29 9.992 -3.102 -0.055 1.00 0.47 H new ATOM 451 N ASN A 30 9.085 -7.347 -2.321 1.00 0.32 N ATOM 452 CA ASN A 30 8.584 -8.674 -2.669 1.00 0.39 C ATOM 453 C ASN A 30 8.700 -9.619 -1.478 1.00 0.42 C ATOM 454 O ASN A 30 9.267 -9.251 -0.449 1.00 0.42 O ATOM 455 CB ASN A 30 9.324 -9.259 -3.880 1.00 0.47 C ATOM 456 CG ASN A 30 10.822 -9.382 -3.670 1.00 0.79 C ATOM 457 OD1 ASN A 30 11.306 -9.448 -2.547 1.00 1.41 O ATOM 458 ND2 ASN A 30 11.567 -9.449 -4.753 1.00 1.12 N ATOM 0 H ASN A 30 10.089 -7.219 -2.445 1.00 0.32 H new ATOM 0 HA ASN A 30 7.533 -8.566 -2.938 1.00 0.39 H new ATOM 0 HB2 ASN A 30 8.914 -10.244 -4.106 1.00 0.47 H new ATOM 0 HB3 ASN A 30 9.137 -8.629 -4.750 1.00 0.47 H new ATOM 0 HD21 ASN A 30 12.578 -9.559 -4.671 1.00 1.12 H new ATOM 0 HD22 ASN A 30 11.134 -9.391 -5.675 1.00 1.12 H new ATOM 465 N LYS A 31 8.140 -10.819 -1.611 1.00 0.48 N ATOM 466 CA LYS A 31 8.260 -11.855 -0.579 1.00 0.54 C ATOM 467 C LYS A 31 9.709 -12.146 -0.166 1.00 0.58 C ATOM 468 O LYS A 31 9.944 -12.780 0.861 1.00 0.69 O ATOM 469 CB LYS A 31 7.588 -13.150 -1.039 1.00 0.62 C ATOM 470 CG LYS A 31 8.138 -13.734 -2.326 1.00 0.66 C ATOM 471 CD LYS A 31 7.379 -14.995 -2.705 1.00 0.78 C ATOM 472 CE LYS A 31 7.882 -15.581 -4.013 1.00 1.32 C ATOM 473 NZ LYS A 31 7.221 -16.873 -4.340 1.00 1.77 N ATOM 0 H LYS A 31 7.596 -11.102 -2.426 1.00 0.48 H new ATOM 0 HA LYS A 31 7.753 -11.460 0.301 1.00 0.54 H new ATOM 0 HB2 LYS A 31 7.687 -13.894 -0.248 1.00 0.62 H new ATOM 0 HB3 LYS A 31 6.522 -12.963 -1.169 1.00 0.62 H new ATOM 0 HG2 LYS A 31 8.059 -13.000 -3.128 1.00 0.66 H new ATOM 0 HG3 LYS A 31 9.197 -13.962 -2.205 1.00 0.66 H new ATOM 0 HD2 LYS A 31 7.483 -15.735 -1.911 1.00 0.78 H new ATOM 0 HD3 LYS A 31 6.317 -14.768 -2.793 1.00 0.78 H new ATOM 0 HE2 LYS A 31 7.705 -14.870 -4.820 1.00 1.32 H new ATOM 0 HE3 LYS A 31 8.960 -15.731 -3.951 1.00 1.32 H new ATOM 0 HZ1 LYS A 31 7.595 -17.236 -5.240 1.00 1.77 H new ATOM 0 HZ2 LYS A 31 7.411 -17.561 -3.584 1.00 1.77 H new ATOM 0 HZ3 LYS A 31 6.195 -16.726 -4.425 1.00 1.77 H new ATOM 487 N PHE A 32 10.678 -11.692 -0.951 1.00 0.58 N ATOM 488 CA PHE A 32 12.081 -11.921 -0.634 1.00 0.63 C ATOM 489 C PHE A 32 12.676 -10.723 0.102 1.00 0.56 C ATOM 490 O PHE A 32 13.842 -10.747 0.494 1.00 0.62 O ATOM 491 CB PHE A 32 12.888 -12.199 -1.906 1.00 0.69 C ATOM 492 CG PHE A 32 12.425 -13.409 -2.661 1.00 0.80 C ATOM 493 CD1 PHE A 32 12.746 -14.680 -2.218 1.00 0.95 C ATOM 494 CD2 PHE A 32 11.667 -13.274 -3.812 1.00 0.83 C ATOM 495 CE1 PHE A 32 12.322 -15.797 -2.912 1.00 1.08 C ATOM 496 CE2 PHE A 32 11.241 -14.386 -4.509 1.00 0.96 C ATOM 497 CZ PHE A 32 11.566 -15.650 -4.057 1.00 1.07 C ATOM 0 H PHE A 32 10.518 -11.165 -1.809 1.00 0.58 H new ATOM 0 HA PHE A 32 12.135 -12.794 0.016 1.00 0.63 H new ATOM 0 HB2 PHE A 32 12.830 -11.329 -2.560 1.00 0.69 H new ATOM 0 HB3 PHE A 32 13.937 -12.327 -1.639 1.00 0.69 H new ATOM 0 HD1 PHE A 32 13.334 -14.800 -1.320 1.00 0.95 H new ATOM 0 HD2 PHE A 32 11.407 -12.288 -4.168 1.00 0.83 H new ATOM 0 HE1 PHE A 32 12.582 -16.784 -2.559 1.00 1.08 H new ATOM 0 HE2 PHE A 32 10.654 -14.268 -5.408 1.00 0.96 H new ATOM 0 HZ PHE A 32 11.229 -16.522 -4.599 1.00 1.07 H new ATOM 507 N GLY A 33 11.879 -9.669 0.277 1.00 0.49 N ATOM 508 CA GLY A 33 12.328 -8.515 1.032 1.00 0.49 C ATOM 509 C GLY A 33 13.081 -7.531 0.174 1.00 0.45 C ATOM 510 O GLY A 33 13.884 -6.741 0.672 1.00 0.54 O ATOM 0 H GLY A 33 10.931 -9.597 -0.092 1.00 0.49 H new ATOM 0 HA2 GLY A 33 11.467 -8.019 1.480 1.00 0.49 H new ATOM 0 HA3 GLY A 33 12.968 -8.845 1.850 1.00 0.49 H new ATOM 514 N LYS A 34 12.834 -7.589 -1.124 1.00 0.42 N ATOM 515 CA LYS A 34 13.523 -6.719 -2.063 1.00 0.52 C ATOM 516 C LYS A 34 12.635 -5.583 -2.489 1.00 0.38 C ATOM 517 O LYS A 34 11.465 -5.765 -2.834 1.00 0.72 O ATOM 518 CB LYS A 34 13.992 -7.496 -3.283 1.00 0.85 C ATOM 519 CG LYS A 34 14.608 -8.813 -2.899 1.00 1.17 C ATOM 520 CD LYS A 34 15.995 -8.661 -2.300 1.00 1.92 C ATOM 521 CE LYS A 34 16.521 -10.008 -1.830 1.00 2.73 C ATOM 522 NZ LYS A 34 17.862 -9.906 -1.201 1.00 3.25 N ATOM 0 H LYS A 34 12.163 -8.228 -1.551 1.00 0.42 H new ATOM 0 HA LYS A 34 14.396 -6.310 -1.555 1.00 0.52 H new ATOM 0 HB2 LYS A 34 13.148 -7.670 -3.951 1.00 0.85 H new ATOM 0 HB3 LYS A 34 14.719 -6.901 -3.836 1.00 0.85 H new ATOM 0 HG2 LYS A 34 13.960 -9.316 -2.181 1.00 1.17 H new ATOM 0 HG3 LYS A 34 14.666 -9.453 -3.780 1.00 1.17 H new ATOM 0 HD2 LYS A 34 16.673 -8.237 -3.041 1.00 1.92 H new ATOM 0 HD3 LYS A 34 15.962 -7.964 -1.462 1.00 1.92 H new ATOM 0 HE2 LYS A 34 15.820 -10.439 -1.115 1.00 2.73 H new ATOM 0 HE3 LYS A 34 16.572 -10.691 -2.678 1.00 2.73 H new ATOM 0 HZ1 LYS A 34 18.176 -10.850 -0.898 1.00 3.25 H new ATOM 0 HZ2 LYS A 34 18.540 -9.520 -1.889 1.00 3.25 H new ATOM 0 HZ3 LYS A 34 17.811 -9.276 -0.375 1.00 3.25 H new ATOM 536 N SER A 35 13.225 -4.422 -2.468 1.00 0.46 N ATOM 537 CA SER A 35 12.527 -3.187 -2.760 1.00 0.48 C ATOM 538 C SER A 35 12.299 -3.013 -4.259 1.00 0.58 C ATOM 539 O SER A 35 13.226 -3.143 -5.064 1.00 0.74 O ATOM 540 CB SER A 35 13.310 -2.008 -2.186 1.00 0.69 C ATOM 541 OG SER A 35 14.667 -2.031 -2.612 1.00 1.55 O ATOM 0 H SER A 35 14.213 -4.297 -2.247 1.00 0.46 H new ATOM 0 HA SER A 35 11.545 -3.226 -2.290 1.00 0.48 H new ATOM 0 HB2 SER A 35 12.845 -1.073 -2.498 1.00 0.69 H new ATOM 0 HB3 SER A 35 13.268 -2.037 -1.097 1.00 0.69 H new ATOM 0 HG SER A 35 15.143 -1.264 -2.230 1.00 1.55 H new ATOM 547 N MET A 36 11.057 -2.730 -4.627 1.00 0.58 N ATOM 548 CA MET A 36 10.690 -2.513 -6.019 1.00 0.76 C ATOM 549 C MET A 36 9.757 -1.312 -6.133 1.00 0.87 C ATOM 550 O MET A 36 9.177 -0.868 -5.141 1.00 0.94 O ATOM 551 CB MET A 36 9.996 -3.752 -6.600 1.00 0.81 C ATOM 552 CG MET A 36 10.827 -5.026 -6.529 1.00 1.07 C ATOM 553 SD MET A 36 9.976 -6.451 -7.235 1.00 1.38 S ATOM 554 CE MET A 36 8.487 -6.479 -6.237 1.00 1.15 C ATOM 0 H MET A 36 10.279 -2.645 -3.973 1.00 0.58 H new ATOM 0 HA MET A 36 11.603 -2.323 -6.584 1.00 0.76 H new ATOM 0 HB2 MET A 36 9.059 -3.913 -6.067 1.00 0.81 H new ATOM 0 HB3 MET A 36 9.740 -3.556 -7.641 1.00 0.81 H new ATOM 0 HG2 MET A 36 11.768 -4.871 -7.057 1.00 1.07 H new ATOM 0 HG3 MET A 36 11.076 -5.235 -5.489 1.00 1.07 H new ATOM 0 HE1 MET A 36 8.004 -7.452 -6.331 1.00 1.15 H new ATOM 0 HE2 MET A 36 8.745 -6.302 -5.193 1.00 1.15 H new ATOM 0 HE3 MET A 36 7.805 -5.701 -6.579 1.00 1.15 H new ATOM 564 N ASN A 37 9.622 -0.785 -7.341 1.00 1.03 N ATOM 565 CA ASN A 37 8.687 0.303 -7.596 1.00 1.17 C ATOM 566 C ASN A 37 7.333 -0.259 -8.011 1.00 0.99 C ATOM 567 O ASN A 37 7.242 -1.386 -8.498 1.00 1.03 O ATOM 568 CB ASN A 37 9.219 1.264 -8.670 1.00 1.55 C ATOM 569 CG ASN A 37 9.687 0.557 -9.927 1.00 2.18 C ATOM 570 OD1 ASN A 37 8.893 0.238 -10.808 1.00 2.78 O ATOM 571 ND2 ASN A 37 10.990 0.332 -10.028 1.00 2.51 N ATOM 0 H ASN A 37 10.147 -1.092 -8.160 1.00 1.03 H new ATOM 0 HA ASN A 37 8.572 0.871 -6.673 1.00 1.17 H new ATOM 0 HB2 ASN A 37 8.436 1.975 -8.932 1.00 1.55 H new ATOM 0 HB3 ASN A 37 10.047 1.839 -8.255 1.00 1.55 H new ATOM 0 HD21 ASN A 37 11.366 -0.122 -10.861 1.00 2.51 H new ATOM 0 HD22 ASN A 37 11.616 0.613 -9.273 1.00 2.51 H new ATOM 578 N MET A 38 6.287 0.529 -7.810 1.00 1.01 N ATOM 579 CA MET A 38 4.925 0.067 -8.037 1.00 0.99 C ATOM 580 C MET A 38 4.388 0.543 -9.379 1.00 0.86 C ATOM 581 O MET A 38 4.443 1.733 -9.697 1.00 0.81 O ATOM 582 CB MET A 38 4.015 0.557 -6.909 1.00 1.23 C ATOM 583 CG MET A 38 2.587 0.043 -7.005 1.00 0.95 C ATOM 584 SD MET A 38 1.565 0.586 -5.623 1.00 1.15 S ATOM 585 CE MET A 38 2.538 -0.012 -4.244 1.00 1.32 C ATOM 0 H MET A 38 6.356 1.495 -7.489 1.00 1.01 H new ATOM 0 HA MET A 38 4.939 -1.023 -8.050 1.00 0.99 H new ATOM 0 HB2 MET A 38 4.439 0.249 -5.953 1.00 1.23 H new ATOM 0 HB3 MET A 38 4.000 1.647 -6.914 1.00 1.23 H new ATOM 0 HG2 MET A 38 2.142 0.387 -7.939 1.00 0.95 H new ATOM 0 HG3 MET A 38 2.598 -1.046 -7.039 1.00 0.95 H new ATOM 0 HE1 MET A 38 1.883 -0.497 -3.520 1.00 1.32 H new ATOM 0 HE2 MET A 38 3.276 -0.729 -4.603 1.00 1.32 H new ATOM 0 HE3 MET A 38 3.048 0.826 -3.768 1.00 1.32 H new ATOM 595 N PRO A 39 3.876 -0.391 -10.192 1.00 0.92 N ATOM 596 CA PRO A 39 3.228 -0.061 -11.455 1.00 0.91 C ATOM 597 C PRO A 39 1.852 0.566 -11.243 1.00 0.76 C ATOM 598 O PRO A 39 0.949 -0.050 -10.669 1.00 0.83 O ATOM 599 CB PRO A 39 3.111 -1.409 -12.166 1.00 1.16 C ATOM 600 CG PRO A 39 3.092 -2.420 -11.071 1.00 1.24 C ATOM 601 CD PRO A 39 3.911 -1.846 -9.948 1.00 1.13 C ATOM 0 HA PRO A 39 3.792 0.677 -12.026 1.00 0.91 H new ATOM 0 HB2 PRO A 39 2.203 -1.461 -12.767 1.00 1.16 H new ATOM 0 HB3 PRO A 39 3.951 -1.574 -12.841 1.00 1.16 H new ATOM 0 HG2 PRO A 39 2.071 -2.620 -10.745 1.00 1.24 H new ATOM 0 HG3 PRO A 39 3.509 -3.368 -11.411 1.00 1.24 H new ATOM 0 HD2 PRO A 39 3.488 -2.098 -8.976 1.00 1.13 H new ATOM 0 HD3 PRO A 39 4.931 -2.229 -9.961 1.00 1.13 H new ATOM 609 N GLU A 40 1.705 1.796 -11.701 1.00 0.77 N ATOM 610 CA GLU A 40 0.466 2.537 -11.534 1.00 0.69 C ATOM 611 C GLU A 40 -0.650 1.924 -12.376 1.00 0.73 C ATOM 612 O GLU A 40 -0.434 1.542 -13.528 1.00 1.09 O ATOM 613 CB GLU A 40 0.681 4.004 -11.918 1.00 0.76 C ATOM 614 CG GLU A 40 -0.557 4.868 -11.766 1.00 0.72 C ATOM 615 CD GLU A 40 -0.284 6.336 -12.007 1.00 0.94 C ATOM 616 OE1 GLU A 40 0.271 6.998 -11.107 1.00 1.09 O ATOM 617 OE2 GLU A 40 -0.630 6.839 -13.090 1.00 1.15 O ATOM 0 H GLU A 40 2.435 2.308 -12.196 1.00 0.77 H new ATOM 0 HA GLU A 40 0.167 2.484 -10.487 1.00 0.69 H new ATOM 0 HB2 GLU A 40 1.479 4.418 -11.301 1.00 0.76 H new ATOM 0 HB3 GLU A 40 1.021 4.052 -12.953 1.00 0.76 H new ATOM 0 HG2 GLU A 40 -1.320 4.526 -12.465 1.00 0.72 H new ATOM 0 HG3 GLU A 40 -0.963 4.739 -10.763 1.00 0.72 H new ATOM 624 N GLY A 41 -1.835 1.817 -11.787 1.00 0.64 N ATOM 625 CA GLY A 41 -2.984 1.313 -12.515 1.00 0.66 C ATOM 626 C GLY A 41 -3.401 -0.084 -12.094 1.00 0.62 C ATOM 627 O GLY A 41 -4.456 -0.559 -12.501 1.00 0.68 O ATOM 0 H GLY A 41 -2.021 2.071 -10.817 1.00 0.64 H new ATOM 0 HA2 GLY A 41 -3.823 1.993 -12.370 1.00 0.66 H new ATOM 0 HA3 GLY A 41 -2.756 1.310 -13.581 1.00 0.66 H new ATOM 631 N LYS A 42 -2.590 -0.741 -11.279 1.00 0.59 N ATOM 632 CA LYS A 42 -2.877 -2.114 -10.880 1.00 0.59 C ATOM 633 C LYS A 42 -3.408 -2.198 -9.459 1.00 0.52 C ATOM 634 O LYS A 42 -2.820 -1.639 -8.533 1.00 0.54 O ATOM 635 CB LYS A 42 -1.630 -2.981 -10.992 1.00 0.67 C ATOM 636 CG LYS A 42 -1.094 -3.104 -12.400 1.00 0.85 C ATOM 637 CD LYS A 42 -2.116 -3.773 -13.297 1.00 1.45 C ATOM 638 CE LYS A 42 -2.367 -5.222 -12.903 1.00 1.85 C ATOM 639 NZ LYS A 42 -1.135 -6.048 -12.975 1.00 2.30 N ATOM 0 H LYS A 42 -1.735 -0.352 -10.883 1.00 0.59 H new ATOM 0 HA LYS A 42 -3.647 -2.480 -11.560 1.00 0.59 H new ATOM 0 HB2 LYS A 42 -0.852 -2.565 -10.352 1.00 0.67 H new ATOM 0 HB3 LYS A 42 -1.857 -3.977 -10.612 1.00 0.67 H new ATOM 0 HG2 LYS A 42 -0.849 -2.116 -12.790 1.00 0.85 H new ATOM 0 HG3 LYS A 42 -0.170 -3.683 -12.395 1.00 0.85 H new ATOM 0 HD2 LYS A 42 -3.054 -3.219 -13.253 1.00 1.45 H new ATOM 0 HD3 LYS A 42 -1.771 -3.734 -14.330 1.00 1.45 H new ATOM 0 HE2 LYS A 42 -2.766 -5.256 -11.889 1.00 1.85 H new ATOM 0 HE3 LYS A 42 -3.126 -5.648 -13.559 1.00 1.85 H new ATOM 0 HZ1 LYS A 42 -1.388 -7.055 -12.916 1.00 2.30 H new ATOM 0 HZ2 LYS A 42 -0.647 -5.866 -13.875 1.00 2.30 H new ATOM 0 HZ3 LYS A 42 -0.506 -5.802 -12.184 1.00 2.30 H new ATOM 653 N VAL A 43 -4.515 -2.910 -9.296 1.00 0.48 N ATOM 654 CA VAL A 43 -5.082 -3.144 -7.980 1.00 0.45 C ATOM 655 C VAL A 43 -4.578 -4.464 -7.413 1.00 0.39 C ATOM 656 O VAL A 43 -4.556 -5.488 -8.099 1.00 0.46 O ATOM 657 CB VAL A 43 -6.633 -3.096 -7.997 1.00 0.54 C ATOM 658 CG1 VAL A 43 -7.221 -4.154 -8.917 1.00 0.69 C ATOM 659 CG2 VAL A 43 -7.197 -3.241 -6.591 1.00 0.93 C ATOM 0 H VAL A 43 -5.037 -3.335 -10.062 1.00 0.48 H new ATOM 0 HA VAL A 43 -4.749 -2.336 -7.328 1.00 0.45 H new ATOM 0 HB VAL A 43 -6.920 -2.120 -8.388 1.00 0.54 H new ATOM 0 HG11 VAL A 43 -8.309 -4.087 -8.900 1.00 0.69 H new ATOM 0 HG12 VAL A 43 -6.863 -3.992 -9.934 1.00 0.69 H new ATOM 0 HG13 VAL A 43 -6.913 -5.143 -8.577 1.00 0.69 H new ATOM 0 HG21 VAL A 43 -8.286 -3.204 -6.630 1.00 0.93 H new ATOM 0 HG22 VAL A 43 -6.881 -4.195 -6.169 1.00 0.93 H new ATOM 0 HG23 VAL A 43 -6.829 -2.428 -5.966 1.00 0.93 H new ATOM 669 N MET A 44 -4.147 -4.419 -6.166 1.00 0.35 N ATOM 670 CA MET A 44 -3.599 -5.578 -5.490 1.00 0.36 C ATOM 671 C MET A 44 -4.360 -5.825 -4.197 1.00 0.34 C ATOM 672 O MET A 44 -4.931 -4.897 -3.618 1.00 0.39 O ATOM 673 CB MET A 44 -2.114 -5.357 -5.191 1.00 0.46 C ATOM 674 CG MET A 44 -1.259 -5.179 -6.439 1.00 0.76 C ATOM 675 SD MET A 44 0.431 -4.671 -6.068 1.00 1.31 S ATOM 676 CE MET A 44 0.144 -3.057 -5.346 1.00 1.20 C ATOM 0 H MET A 44 -4.168 -3.575 -5.593 1.00 0.35 H new ATOM 0 HA MET A 44 -3.701 -6.450 -6.136 1.00 0.36 H new ATOM 0 HB2 MET A 44 -2.007 -4.475 -4.559 1.00 0.46 H new ATOM 0 HB3 MET A 44 -1.737 -6.206 -4.621 1.00 0.46 H new ATOM 0 HG2 MET A 44 -1.237 -6.117 -6.995 1.00 0.76 H new ATOM 0 HG3 MET A 44 -1.722 -4.435 -7.087 1.00 0.76 H new ATOM 0 HE1 MET A 44 1.079 -2.497 -5.325 1.00 1.20 H new ATOM 0 HE2 MET A 44 -0.590 -2.516 -5.944 1.00 1.20 H new ATOM 0 HE3 MET A 44 -0.232 -3.175 -4.330 1.00 1.20 H new ATOM 686 N GLU A 45 -4.385 -7.070 -3.755 1.00 0.31 N ATOM 687 CA GLU A 45 -5.058 -7.418 -2.518 1.00 0.34 C ATOM 688 C GLU A 45 -4.069 -7.737 -1.412 1.00 0.30 C ATOM 689 O GLU A 45 -2.876 -7.913 -1.648 1.00 0.35 O ATOM 690 CB GLU A 45 -6.010 -8.589 -2.730 1.00 0.47 C ATOM 691 CG GLU A 45 -7.412 -8.143 -3.082 1.00 0.99 C ATOM 692 CD GLU A 45 -8.302 -9.295 -3.482 1.00 1.17 C ATOM 693 OE1 GLU A 45 -7.982 -9.970 -4.479 1.00 1.43 O ATOM 694 OE2 GLU A 45 -9.310 -9.540 -2.787 1.00 1.64 O ATOM 0 H GLU A 45 -3.947 -7.856 -4.235 1.00 0.31 H new ATOM 0 HA GLU A 45 -5.636 -6.548 -2.208 1.00 0.34 H new ATOM 0 HB2 GLU A 45 -5.625 -9.226 -3.526 1.00 0.47 H new ATOM 0 HB3 GLU A 45 -6.042 -9.195 -1.824 1.00 0.47 H new ATOM 0 HG2 GLU A 45 -7.851 -7.628 -2.227 1.00 0.99 H new ATOM 0 HG3 GLU A 45 -7.366 -7.423 -3.899 1.00 0.99 H new ATOM 701 N THR A 46 -4.597 -7.813 -0.208 1.00 0.29 N ATOM 702 CA THR A 46 -3.781 -7.978 0.975 1.00 0.31 C ATOM 703 C THR A 46 -4.242 -9.152 1.829 1.00 0.39 C ATOM 704 O THR A 46 -5.348 -9.671 1.656 1.00 0.49 O ATOM 705 CB THR A 46 -3.800 -6.700 1.819 1.00 0.42 C ATOM 706 OG1 THR A 46 -5.150 -6.364 2.136 1.00 0.53 O ATOM 707 CG2 THR A 46 -3.159 -5.545 1.069 1.00 0.50 C ATOM 0 H THR A 46 -5.599 -7.762 -0.023 1.00 0.29 H new ATOM 0 HA THR A 46 -2.766 -8.183 0.636 1.00 0.31 H new ATOM 0 HB THR A 46 -3.232 -6.879 2.732 1.00 0.42 H new ATOM 0 HG1 THR A 46 -5.569 -5.931 1.363 1.00 0.53 H new ATOM 0 HG21 THR A 46 -3.185 -4.649 1.689 1.00 0.50 H new ATOM 0 HG22 THR A 46 -2.124 -5.794 0.834 1.00 0.50 H new ATOM 0 HG23 THR A 46 -3.707 -5.362 0.145 1.00 0.50 H new ATOM 715 N ARG A 47 -3.375 -9.563 2.750 1.00 0.39 N ATOM 716 CA ARG A 47 -3.669 -10.627 3.698 1.00 0.51 C ATOM 717 C ARG A 47 -4.879 -10.286 4.560 1.00 0.72 C ATOM 718 O ARG A 47 -5.619 -11.173 4.981 1.00 0.92 O ATOM 719 CB ARG A 47 -2.460 -10.881 4.602 1.00 0.54 C ATOM 720 CG ARG A 47 -1.367 -11.681 3.919 1.00 0.95 C ATOM 721 CD ARG A 47 -0.108 -11.783 4.762 1.00 1.27 C ATOM 722 NE ARG A 47 -0.306 -12.521 6.003 1.00 2.09 N ATOM 723 CZ ARG A 47 0.524 -12.446 7.046 1.00 2.77 C ATOM 724 NH1 ARG A 47 1.583 -11.637 7.010 1.00 2.94 N ATOM 725 NH2 ARG A 47 0.297 -13.172 8.131 1.00 3.73 N ATOM 0 H ARG A 47 -2.443 -9.163 2.858 1.00 0.39 H new ATOM 0 HA ARG A 47 -3.894 -11.525 3.123 1.00 0.51 H new ATOM 0 HB2 ARG A 47 -2.052 -9.925 4.931 1.00 0.54 H new ATOM 0 HB3 ARG A 47 -2.787 -11.412 5.496 1.00 0.54 H new ATOM 0 HG2 ARG A 47 -1.737 -12.683 3.701 1.00 0.95 H new ATOM 0 HG3 ARG A 47 -1.124 -11.216 2.964 1.00 0.95 H new ATOM 0 HD2 ARG A 47 0.674 -12.269 4.178 1.00 1.27 H new ATOM 0 HD3 ARG A 47 0.247 -10.779 4.996 1.00 1.27 H new ATOM 0 HE ARG A 47 -1.123 -13.127 6.079 1.00 2.09 H new ATOM 0 HH11 ARG A 47 1.764 -11.070 6.182 1.00 2.94 H new ATOM 0 HH12 ARG A 47 2.213 -11.585 7.811 1.00 2.94 H new ATOM 0 HH21 ARG A 47 -0.513 -13.790 8.171 1.00 3.73 H new ATOM 0 HH22 ARG A 47 0.933 -13.113 8.926 1.00 3.73 H new ATOM 739 N ASP A 48 -5.097 -8.997 4.799 1.00 0.78 N ATOM 740 CA ASP A 48 -6.131 -8.564 5.731 1.00 1.06 C ATOM 741 C ASP A 48 -7.433 -8.239 5.004 1.00 1.04 C ATOM 742 O ASP A 48 -8.458 -7.983 5.636 1.00 1.45 O ATOM 743 CB ASP A 48 -5.649 -7.363 6.554 1.00 1.30 C ATOM 744 CG ASP A 48 -5.458 -6.105 5.731 1.00 1.83 C ATOM 745 OD1 ASP A 48 -4.464 -6.030 4.987 1.00 2.70 O ATOM 746 OD2 ASP A 48 -6.295 -5.181 5.837 1.00 1.79 O ATOM 0 H ASP A 48 -4.574 -8.238 4.363 1.00 0.78 H new ATOM 0 HA ASP A 48 -6.332 -9.389 6.414 1.00 1.06 H new ATOM 0 HB2 ASP A 48 -6.370 -7.163 7.347 1.00 1.30 H new ATOM 0 HB3 ASP A 48 -4.706 -7.618 7.037 1.00 1.30 H new ATOM 751 N GLY A 49 -7.388 -8.247 3.678 1.00 0.68 N ATOM 752 CA GLY A 49 -8.605 -8.112 2.904 1.00 0.72 C ATOM 753 C GLY A 49 -8.813 -6.715 2.376 1.00 0.70 C ATOM 754 O GLY A 49 -9.915 -6.357 1.962 1.00 0.77 O ATOM 0 H GLY A 49 -6.535 -8.344 3.128 1.00 0.68 H new ATOM 0 HA2 GLY A 49 -8.577 -8.811 2.068 1.00 0.72 H new ATOM 0 HA3 GLY A 49 -9.457 -8.391 3.524 1.00 0.72 H new ATOM 758 N THR A 50 -7.761 -5.922 2.382 1.00 0.65 N ATOM 759 CA THR A 50 -7.815 -4.576 1.853 1.00 0.69 C ATOM 760 C THR A 50 -7.376 -4.573 0.390 1.00 0.55 C ATOM 761 O THR A 50 -6.439 -5.281 0.013 1.00 0.52 O ATOM 762 CB THR A 50 -6.903 -3.644 2.680 1.00 0.83 C ATOM 763 OG1 THR A 50 -7.354 -3.601 4.039 1.00 1.25 O ATOM 764 CG2 THR A 50 -6.877 -2.236 2.108 1.00 1.35 C ATOM 0 H THR A 50 -6.849 -6.191 2.752 1.00 0.65 H new ATOM 0 HA THR A 50 -8.841 -4.212 1.917 1.00 0.69 H new ATOM 0 HB THR A 50 -5.891 -4.046 2.638 1.00 0.83 H new ATOM 0 HG1 THR A 50 -6.680 -4.010 4.621 1.00 1.25 H new ATOM 0 HG21 THR A 50 -6.225 -1.608 2.716 1.00 1.35 H new ATOM 0 HG22 THR A 50 -6.502 -2.266 1.085 1.00 1.35 H new ATOM 0 HG23 THR A 50 -7.886 -1.823 2.112 1.00 1.35 H new ATOM 772 N LYS A 51 -8.060 -3.793 -0.428 1.00 0.53 N ATOM 773 CA LYS A 51 -7.720 -3.672 -1.837 1.00 0.52 C ATOM 774 C LYS A 51 -7.070 -2.317 -2.078 1.00 0.51 C ATOM 775 O LYS A 51 -7.558 -1.291 -1.590 1.00 0.56 O ATOM 776 CB LYS A 51 -8.971 -3.835 -2.706 1.00 0.59 C ATOM 777 CG LYS A 51 -9.718 -5.137 -2.457 1.00 0.67 C ATOM 778 CD LYS A 51 -11.035 -5.172 -3.214 1.00 1.19 C ATOM 779 CE LYS A 51 -11.835 -6.428 -2.906 1.00 1.26 C ATOM 780 NZ LYS A 51 -11.163 -7.662 -3.395 1.00 1.84 N ATOM 0 H LYS A 51 -8.860 -3.230 -0.139 1.00 0.53 H new ATOM 0 HA LYS A 51 -7.019 -4.460 -2.111 1.00 0.52 H new ATOM 0 HB2 LYS A 51 -9.644 -2.998 -2.520 1.00 0.59 H new ATOM 0 HB3 LYS A 51 -8.683 -3.786 -3.756 1.00 0.59 H new ATOM 0 HG2 LYS A 51 -9.097 -5.979 -2.764 1.00 0.67 H new ATOM 0 HG3 LYS A 51 -9.907 -5.252 -1.390 1.00 0.67 H new ATOM 0 HD2 LYS A 51 -11.626 -4.293 -2.955 1.00 1.19 H new ATOM 0 HD3 LYS A 51 -10.839 -5.120 -4.285 1.00 1.19 H new ATOM 0 HE2 LYS A 51 -11.988 -6.503 -1.829 1.00 1.26 H new ATOM 0 HE3 LYS A 51 -12.821 -6.349 -3.364 1.00 1.26 H new ATOM 0 HZ1 LYS A 51 -11.872 -8.409 -3.541 1.00 1.84 H new ATOM 0 HZ2 LYS A 51 -10.681 -7.462 -4.295 1.00 1.84 H new ATOM 0 HZ3 LYS A 51 -10.466 -7.979 -2.692 1.00 1.84 H new ATOM 794 N ILE A 52 -5.952 -2.313 -2.794 1.00 0.47 N ATOM 795 CA ILE A 52 -5.176 -1.094 -3.007 1.00 0.46 C ATOM 796 C ILE A 52 -4.708 -0.962 -4.456 1.00 0.46 C ATOM 797 O ILE A 52 -4.528 -1.958 -5.150 1.00 0.52 O ATOM 798 CB ILE A 52 -3.937 -1.054 -2.083 1.00 0.48 C ATOM 799 CG1 ILE A 52 -3.170 -2.378 -2.173 1.00 0.49 C ATOM 800 CG2 ILE A 52 -4.343 -0.757 -0.644 1.00 0.66 C ATOM 801 CD1 ILE A 52 -1.884 -2.406 -1.375 1.00 0.51 C ATOM 0 H ILE A 52 -5.560 -3.143 -3.239 1.00 0.47 H new ATOM 0 HA ILE A 52 -5.840 -0.262 -2.771 1.00 0.46 H new ATOM 0 HB ILE A 52 -3.281 -0.250 -2.416 1.00 0.48 H new ATOM 0 HG12 ILE A 52 -3.817 -3.184 -1.827 1.00 0.49 H new ATOM 0 HG13 ILE A 52 -2.940 -2.581 -3.219 1.00 0.49 H new ATOM 0 HG21 ILE A 52 -3.455 -0.734 -0.013 1.00 0.66 H new ATOM 0 HG22 ILE A 52 -4.845 0.210 -0.600 1.00 0.66 H new ATOM 0 HG23 ILE A 52 -5.020 -1.534 -0.289 1.00 0.66 H new ATOM 0 HD11 ILE A 52 -1.404 -3.377 -1.493 1.00 0.51 H new ATOM 0 HD12 ILE A 52 -1.215 -1.624 -1.735 1.00 0.51 H new ATOM 0 HD13 ILE A 52 -2.106 -2.236 -0.321 1.00 0.51 H new ATOM 813 N ILE A 53 -4.510 0.279 -4.893 1.00 0.42 N ATOM 814 CA ILE A 53 -3.950 0.567 -6.222 1.00 0.41 C ATOM 815 C ILE A 53 -3.374 1.982 -6.261 1.00 0.42 C ATOM 816 O ILE A 53 -3.845 2.873 -5.562 1.00 0.44 O ATOM 817 CB ILE A 53 -4.960 0.324 -7.407 1.00 0.40 C ATOM 818 CG1 ILE A 53 -4.542 1.040 -8.710 1.00 0.43 C ATOM 819 CG2 ILE A 53 -6.372 0.710 -7.032 1.00 0.42 C ATOM 820 CD1 ILE A 53 -5.196 2.395 -8.929 1.00 0.98 C ATOM 0 H ILE A 53 -4.729 1.111 -4.345 1.00 0.42 H new ATOM 0 HA ILE A 53 -3.146 -0.151 -6.379 1.00 0.41 H new ATOM 0 HB ILE A 53 -4.932 -0.749 -7.599 1.00 0.40 H new ATOM 0 HG12 ILE A 53 -3.460 1.171 -8.705 1.00 0.43 H new ATOM 0 HG13 ILE A 53 -4.782 0.395 -9.556 1.00 0.43 H new ATOM 0 HG21 ILE A 53 -7.036 0.527 -7.877 1.00 0.42 H new ATOM 0 HG22 ILE A 53 -6.698 0.115 -6.179 1.00 0.42 H new ATOM 0 HG23 ILE A 53 -6.403 1.767 -6.769 1.00 0.42 H new ATOM 0 HD11 ILE A 53 -4.843 2.822 -9.868 1.00 0.98 H new ATOM 0 HD12 ILE A 53 -6.279 2.274 -8.970 1.00 0.98 H new ATOM 0 HD13 ILE A 53 -4.936 3.062 -8.107 1.00 0.98 H new ATOM 832 N MET A 54 -2.352 2.174 -7.077 1.00 0.44 N ATOM 833 CA MET A 54 -1.691 3.463 -7.207 1.00 0.47 C ATOM 834 C MET A 54 -2.131 4.119 -8.506 1.00 0.48 C ATOM 835 O MET A 54 -2.018 3.517 -9.572 1.00 0.54 O ATOM 836 CB MET A 54 -0.171 3.275 -7.199 1.00 0.52 C ATOM 837 CG MET A 54 0.617 4.549 -7.455 1.00 0.60 C ATOM 838 SD MET A 54 2.393 4.248 -7.535 1.00 1.08 S ATOM 839 CE MET A 54 3.000 5.893 -7.889 1.00 1.50 C ATOM 0 H MET A 54 -1.957 1.442 -7.668 1.00 0.44 H new ATOM 0 HA MET A 54 -1.966 4.101 -6.367 1.00 0.47 H new ATOM 0 HB2 MET A 54 0.128 2.864 -6.235 1.00 0.52 H new ATOM 0 HB3 MET A 54 0.096 2.538 -7.956 1.00 0.52 H new ATOM 0 HG2 MET A 54 0.284 4.998 -8.391 1.00 0.60 H new ATOM 0 HG3 MET A 54 0.408 5.269 -6.664 1.00 0.60 H new ATOM 0 HE1 MET A 54 4.063 5.845 -8.126 1.00 1.50 H new ATOM 0 HE2 MET A 54 2.457 6.306 -8.739 1.00 1.50 H new ATOM 0 HE3 MET A 54 2.850 6.531 -7.018 1.00 1.50 H new ATOM 849 N LYS A 55 -2.677 5.321 -8.411 1.00 0.52 N ATOM 850 CA LYS A 55 -3.107 6.061 -9.587 1.00 0.58 C ATOM 851 C LYS A 55 -2.880 7.551 -9.369 1.00 0.66 C ATOM 852 O LYS A 55 -3.312 8.103 -8.357 1.00 0.70 O ATOM 853 CB LYS A 55 -4.580 5.778 -9.886 1.00 0.72 C ATOM 854 CG LYS A 55 -5.091 6.436 -11.155 1.00 0.95 C ATOM 855 CD LYS A 55 -4.341 5.952 -12.382 1.00 0.94 C ATOM 856 CE LYS A 55 -4.873 6.612 -13.644 1.00 1.11 C ATOM 857 NZ LYS A 55 -6.257 6.174 -13.969 1.00 1.69 N ATOM 0 H LYS A 55 -2.833 5.807 -7.528 1.00 0.52 H new ATOM 0 HA LYS A 55 -2.518 5.738 -10.446 1.00 0.58 H new ATOM 0 HB2 LYS A 55 -4.723 4.700 -9.965 1.00 0.72 H new ATOM 0 HB3 LYS A 55 -5.183 6.119 -9.044 1.00 0.72 H new ATOM 0 HG2 LYS A 55 -6.154 6.224 -11.272 1.00 0.95 H new ATOM 0 HG3 LYS A 55 -4.989 7.518 -11.070 1.00 0.95 H new ATOM 0 HD2 LYS A 55 -3.279 6.172 -12.273 1.00 0.94 H new ATOM 0 HD3 LYS A 55 -4.436 4.869 -12.466 1.00 0.94 H new ATOM 0 HE2 LYS A 55 -4.857 7.695 -13.520 1.00 1.11 H new ATOM 0 HE3 LYS A 55 -4.214 6.377 -14.480 1.00 1.11 H new ATOM 0 HZ1 LYS A 55 -6.521 6.527 -14.911 1.00 1.69 H new ATOM 0 HZ2 LYS A 55 -6.303 5.135 -13.964 1.00 1.69 H new ATOM 0 HZ3 LYS A 55 -6.917 6.553 -13.260 1.00 1.69 H new ATOM 871 N GLY A 56 -2.203 8.192 -10.316 1.00 0.77 N ATOM 872 CA GLY A 56 -1.856 9.593 -10.173 1.00 0.93 C ATOM 873 C GLY A 56 -0.912 9.817 -9.015 1.00 0.94 C ATOM 874 O GLY A 56 -1.099 10.751 -8.240 1.00 1.21 O ATOM 0 H GLY A 56 -1.887 7.762 -11.185 1.00 0.77 H new ATOM 0 HA2 GLY A 56 -1.394 9.950 -11.094 1.00 0.93 H new ATOM 0 HA3 GLY A 56 -2.762 10.179 -10.023 1.00 0.93 H new ATOM 878 N ASN A 57 0.089 8.932 -8.904 1.00 0.99 N ATOM 879 CA ASN A 57 1.050 8.901 -7.780 1.00 1.05 C ATOM 880 C ASN A 57 0.347 8.926 -6.416 1.00 0.97 C ATOM 881 O ASN A 57 0.953 9.244 -5.391 1.00 1.15 O ATOM 882 CB ASN A 57 2.113 10.021 -7.869 1.00 1.30 C ATOM 883 CG ASN A 57 1.575 11.433 -7.676 1.00 1.96 C ATOM 884 OD1 ASN A 57 1.356 12.165 -8.643 1.00 2.10 O ATOM 885 ND2 ASN A 57 1.340 11.815 -6.430 1.00 2.90 N ATOM 0 H ASN A 57 0.261 8.206 -9.599 1.00 0.99 H new ATOM 0 HA ASN A 57 1.575 7.950 -7.869 1.00 1.05 H new ATOM 0 HB2 ASN A 57 2.880 9.834 -7.117 1.00 1.30 H new ATOM 0 HB3 ASN A 57 2.600 9.963 -8.843 1.00 1.30 H new ATOM 0 HD21 ASN A 57 0.964 12.745 -6.244 1.00 2.90 H new ATOM 0 HD22 ASN A 57 1.535 11.179 -5.656 1.00 2.90 H new ATOM 892 N GLU A 58 -0.915 8.538 -6.418 1.00 0.86 N ATOM 893 CA GLU A 58 -1.725 8.502 -5.214 1.00 0.84 C ATOM 894 C GLU A 58 -2.153 7.086 -4.906 1.00 0.69 C ATOM 895 O GLU A 58 -2.283 6.252 -5.806 1.00 0.75 O ATOM 896 CB GLU A 58 -2.949 9.385 -5.364 1.00 0.88 C ATOM 897 CG GLU A 58 -2.629 10.865 -5.250 1.00 1.05 C ATOM 898 CD GLU A 58 -2.066 11.238 -3.891 1.00 1.30 C ATOM 899 OE1 GLU A 58 -0.838 11.115 -3.698 1.00 1.63 O ATOM 900 OE2 GLU A 58 -2.844 11.651 -3.006 1.00 1.66 O ATOM 0 H GLU A 58 -1.409 8.238 -7.258 1.00 0.86 H new ATOM 0 HA GLU A 58 -1.119 8.878 -4.389 1.00 0.84 H new ATOM 0 HB2 GLU A 58 -3.413 9.192 -6.331 1.00 0.88 H new ATOM 0 HB3 GLU A 58 -3.680 9.117 -4.601 1.00 0.88 H new ATOM 0 HG2 GLU A 58 -1.912 11.138 -6.024 1.00 1.05 H new ATOM 0 HG3 GLU A 58 -3.534 11.444 -5.436 1.00 1.05 H new ATOM 907 N ILE A 59 -2.371 6.816 -3.636 1.00 0.64 N ATOM 908 CA ILE A 59 -2.771 5.498 -3.215 1.00 0.56 C ATOM 909 C ILE A 59 -4.277 5.410 -2.996 1.00 0.55 C ATOM 910 O ILE A 59 -4.878 6.187 -2.250 1.00 0.63 O ATOM 911 CB ILE A 59 -1.994 5.052 -1.947 1.00 0.62 C ATOM 912 CG1 ILE A 59 -0.907 4.043 -2.328 1.00 0.79 C ATOM 913 CG2 ILE A 59 -2.916 4.468 -0.883 1.00 0.58 C ATOM 914 CD1 ILE A 59 -1.442 2.752 -2.920 1.00 0.92 C ATOM 0 H ILE A 59 -2.277 7.495 -2.880 1.00 0.64 H new ATOM 0 HA ILE A 59 -2.518 4.810 -4.021 1.00 0.56 H new ATOM 0 HB ILE A 59 -1.529 5.939 -1.515 1.00 0.62 H new ATOM 0 HG12 ILE A 59 -0.231 4.507 -3.046 1.00 0.79 H new ATOM 0 HG13 ILE A 59 -0.318 3.807 -1.442 1.00 0.79 H new ATOM 0 HG21 ILE A 59 -2.327 4.170 -0.015 1.00 0.58 H new ATOM 0 HG22 ILE A 59 -3.648 5.218 -0.585 1.00 0.58 H new ATOM 0 HG23 ILE A 59 -3.432 3.597 -1.287 1.00 0.58 H new ATOM 0 HD11 ILE A 59 -0.610 2.091 -3.163 1.00 0.92 H new ATOM 0 HD12 ILE A 59 -2.095 2.263 -2.197 1.00 0.92 H new ATOM 0 HD13 ILE A 59 -2.006 2.973 -3.826 1.00 0.92 H new ATOM 926 N PHE A 60 -4.878 4.489 -3.714 1.00 0.48 N ATOM 927 CA PHE A 60 -6.217 4.033 -3.432 1.00 0.48 C ATOM 928 C PHE A 60 -6.115 2.990 -2.338 1.00 0.48 C ATOM 929 O PHE A 60 -5.503 1.937 -2.514 1.00 0.45 O ATOM 930 CB PHE A 60 -6.835 3.482 -4.740 1.00 0.50 C ATOM 931 CG PHE A 60 -7.862 2.369 -4.627 1.00 0.48 C ATOM 932 CD1 PHE A 60 -7.514 1.117 -4.148 1.00 0.44 C ATOM 933 CD2 PHE A 60 -9.190 2.606 -4.926 1.00 0.69 C ATOM 934 CE1 PHE A 60 -8.479 0.133 -3.977 1.00 0.47 C ATOM 935 CE2 PHE A 60 -10.148 1.635 -4.770 1.00 0.71 C ATOM 936 CZ PHE A 60 -9.683 0.264 -4.550 1.00 0.54 C ATOM 0 H PHE A 60 -4.446 4.032 -4.517 1.00 0.48 H new ATOM 0 HA PHE A 60 -6.871 4.832 -3.083 1.00 0.48 H new ATOM 0 HB2 PHE A 60 -7.301 4.315 -5.266 1.00 0.50 H new ATOM 0 HB3 PHE A 60 -6.021 3.123 -5.369 1.00 0.50 H new ATOM 0 HD1 PHE A 60 -6.483 0.904 -3.905 1.00 0.44 H new ATOM 0 HD2 PHE A 60 -9.482 3.579 -5.292 1.00 0.69 H new ATOM 0 HE1 PHE A 60 -8.258 -0.740 -3.381 1.00 0.47 H new ATOM 0 HE2 PHE A 60 -11.201 1.872 -4.808 1.00 0.71 H new ATOM 0 HZ PHE A 60 -10.277 -0.593 -4.833 1.00 0.54 H new ATOM 946 N ARG A 61 -6.617 3.336 -1.177 1.00 0.60 N ATOM 947 CA ARG A 61 -6.765 2.376 -0.112 1.00 0.70 C ATOM 948 C ARG A 61 -8.245 2.273 0.141 1.00 0.69 C ATOM 949 O ARG A 61 -8.828 3.173 0.743 1.00 0.88 O ATOM 950 CB ARG A 61 -6.036 2.809 1.167 1.00 1.03 C ATOM 951 CG ARG A 61 -5.882 1.685 2.182 1.00 1.21 C ATOM 952 CD ARG A 61 -5.869 2.200 3.617 1.00 1.51 C ATOM 953 NE ARG A 61 -4.841 3.215 3.859 1.00 2.25 N ATOM 954 CZ ARG A 61 -4.254 3.404 5.045 1.00 2.70 C ATOM 955 NH1 ARG A 61 -4.504 2.575 6.053 1.00 2.72 N ATOM 956 NH2 ARG A 61 -3.401 4.411 5.219 1.00 3.56 N ATOM 0 H ARG A 61 -6.931 4.279 -0.946 1.00 0.60 H new ATOM 0 HA ARG A 61 -6.324 1.421 -0.397 1.00 0.70 H new ATOM 0 HB2 ARG A 61 -5.049 3.189 0.903 1.00 1.03 H new ATOM 0 HB3 ARG A 61 -6.582 3.632 1.627 1.00 1.03 H new ATOM 0 HG2 ARG A 61 -6.699 0.974 2.061 1.00 1.21 H new ATOM 0 HG3 ARG A 61 -4.957 1.144 1.984 1.00 1.21 H new ATOM 0 HD2 ARG A 61 -6.847 2.619 3.854 1.00 1.51 H new ATOM 0 HD3 ARG A 61 -5.709 1.362 4.295 1.00 1.51 H new ATOM 0 HE ARG A 61 -4.558 3.810 3.080 1.00 2.25 H new ATOM 0 HH11 ARG A 61 -5.145 1.792 5.923 1.00 2.72 H new ATOM 0 HH12 ARG A 61 -4.055 2.721 6.957 1.00 2.72 H new ATOM 0 HH21 ARG A 61 -3.193 5.042 4.445 1.00 3.56 H new ATOM 0 HH22 ARG A 61 -2.956 4.551 6.126 1.00 3.56 H new ATOM 970 N LEU A 62 -8.842 1.188 -0.333 1.00 0.78 N ATOM 971 CA LEU A 62 -10.308 1.079 -0.429 1.00 1.07 C ATOM 972 C LEU A 62 -10.907 2.126 -1.381 1.00 1.19 C ATOM 973 O LEU A 62 -11.918 1.871 -2.031 1.00 1.40 O ATOM 974 CB LEU A 62 -10.944 1.300 0.943 1.00 1.26 C ATOM 975 CG LEU A 62 -11.237 0.064 1.770 1.00 1.08 C ATOM 976 CD1 LEU A 62 -12.325 -0.758 1.096 1.00 1.36 C ATOM 977 CD2 LEU A 62 -9.983 -0.769 1.981 1.00 1.32 C ATOM 0 H LEU A 62 -8.339 0.363 -0.660 1.00 0.78 H new ATOM 0 HA LEU A 62 -10.518 0.080 -0.810 1.00 1.07 H new ATOM 0 HB2 LEU A 62 -10.285 1.947 1.522 1.00 1.26 H new ATOM 0 HB3 LEU A 62 -11.879 1.842 0.800 1.00 1.26 H new ATOM 0 HG LEU A 62 -11.587 0.380 2.753 1.00 1.08 H new ATOM 0 HD11 LEU A 62 -12.533 -1.646 1.693 1.00 1.36 H new ATOM 0 HD12 LEU A 62 -13.232 -0.159 1.008 1.00 1.36 H new ATOM 0 HD13 LEU A 62 -11.991 -1.059 0.103 1.00 1.36 H new ATOM 0 HD21 LEU A 62 -10.226 -1.648 2.578 1.00 1.32 H new ATOM 0 HD22 LEU A 62 -9.589 -1.084 1.015 1.00 1.32 H new ATOM 0 HD23 LEU A 62 -9.234 -0.173 2.502 1.00 1.32 H new